1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine

C9H11F3N2O — CID 171121684

IUPAC1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine
SMILESCN(C)c1ccc(OC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2O/c1-14(2)8-4-3-6(5-7(8)13)15-9(10,11)12/h3-5H,13H2,1-2H3
InChIKeyJNCHOLAPORCTNI-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.23
Rot. Bonds2

About 1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine

1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine (PubChem CID 171121684) has the molecular formula C9H11F3N2O and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine
PubChem CID171121684
Molecular FormulaC9H11F3N2O
Molecular Weight220.19 g/mol
Exact Mass220.08
IUPAC Name1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine
SMILESCN(C)c1ccc(OC(F)(F)F)cc1N
InChIInChI=1S/C9H11F3N2O/c1-14(2)8-4-3-6(5-7(8)13)15-9(10,11)12/h3-5H,13H2,1-2H3
InChIKeyJNCHOLAPORCTNI-UHFFFAOYSA-N
XLogP2.23
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 118847370
2-fluoro-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118824858
2-iodo-N,N-dimethyl-5-(trifluoromethoxy)aniline
CID 118830517
2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 165350168
4-N,4-N,2-trimethyl-5-[4-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 59820952
2-amino-4-(trifluoromethoxy)benzenethiol
CID 154381732
4-fluoro-N,N-dimethyl-2-[4-(trifluoromethoxy)phenyl]aniline
CID 166640991
2-(4-methylphenyl)-5-(trifluoromethoxy)aniline
CID 146015319
2-dimethylphosphoryl-5-(trifluoromethoxy)aniline
CID 167150983
N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859
2-(4-fluorophenyl)-5-(trifluoromethoxy)aniline
CID 146015322
4-(trifluoromethoxy)-2-trimethylsilyloxyaniline
CID 167735679

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine?
The IUPAC name of 1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine (CID 171121684) is 1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine.
What is the SMILES notation for 1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine?
The canonical SMILES for 1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine is CN(C)c1ccc(OC(F)(F)F)cc1N.
What is the InChIKey of 1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine?
The InChIKey is JNCHOLAPORCTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O/c1-14(2)8-4-3-6(5-7(8)13)15-9(10,11)12/h3-5H,13H2,1-2H3.
What are the key properties of 1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine?
1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine has a molecular weight of 220.19 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-dimethyl-4-(trifluoromethoxy)benzene-1,2-diamine is sourced from PubChem (CID 171121684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).